SCHEMBL1422844

SCHEMBL1422844

CS(=O)(=O)Nc1ccc(OC[C@H](O)CNCCNc2ccc(Cl)c(Cl)c2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.76
SLC6A2 P23975 1/20 0.76
SLC6A3 Q01959 1/20 0.76
GRIN1 Q05586 2/20 0.70
GRIN2B Q13224 2/20 0.70
ADRB2 P07550 1/20 0.60
ADRB1 P08588 1/20 0.60
ADRB3 P13945 1/20 0.60

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1422256 1.00 KCNH2 (0.76) KCNH2SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL1422843 1.00 KCNH2 (0.76) KCNH2SLC6A2SLC6A3GRIN1GRIN2B
SCHEMBL4202111 0.87 KCNH2 (1.00) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL4206117 0.87 KCNH2 (1.00) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL2020025 0.86 KCNH2 (0.78) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL2020023 0.86 KCNH2 (0.78) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL2020027 0.86 KCNH2 (0.78) KCNH2SLC6A2SLC6A3ADRB2ADRB1
Hydrochloric Acid SCHEMBL4358406 0.86 KCNH2 (0.98) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL2024023 0.85 ADRB2 (0.70) KCNH2SLC6A2SLC6A3ADRB2ADRB1
SCHEMBL2024020 0.85 ADRB2 (0.70) KCNH2SLC6A2SLC6A3ADRB2ADRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170334-B1 NMDA RECEPTOR ANTAGONISTS FOR NEUROPROTECTION UNIV EMORY (US) 2021-03-17 EP disclosed
US-9079852-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2015-07-14 US disclosed
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection LIOTTA DENNIS C (US) 2014-01-30 US disclosed
US-8420680-B2 NMDA receptor antagonists for neuroprotection EMORY UNIVERSITY (US) 2013-04-16 US disclosed
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders EMORY UNIVERSITY 2011-06-30 US disclosed
EP-2296658-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS Emory University (US) 2011-03-23 EP disclosed
WO-2009137843-A2 NMDA RECEPTOR ANTAGONISTS FOR THE TREATMENT OF NEUROPSYCHIATRIC DISORDERS EMORY UNIVERSITY (US) 2009-11-12 WO disclosed
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection EMORY UNIVERSITY 2009-10-08 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090253710-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 137/4885SLC6A2 2269/4885SLC6A3 1940/4885
US-20110160223-A1 NMDA Receptor Antagonists for the Treatment of Neuropsychiatric Disorders GRIN2A, GRIN2B, GRIN1 KCNH2 469/4885SLC6A2 106/4885SLC6A3 107/4885
US-20140031363-A1 NMDA Receptor Antagonists for Neuroprotection GRIN1, GRIN2C, GRIK1 KCNH2 135/4885SLC6A2 2398/4885SLC6A3 2054/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.